Project name: query_structure

Chain sequence(s)	A: CHSTGEFRCRSSGICVSPTWVCDGENDCLDGSDEASCTAAGPT
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)

• Minimal score value: -3.2283
• Maximal score value: 0.3397
• Average score: -0.8466
• Total score value: -36.4038

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	C	A	-0.1496
2	H	A	-0.8546
3	S	A	-0.7238
4	T	A	-0.5595
5	G	A	-0.9430
6	E	A	-0.7862
7	F	A	-0.6449
8	R	A	-1.7710
9	C	A	0.0000
10	R	A	-2.4375
11	S	A	-1.5365
12	S	A	-0.7578
13	G	A	-0.8721
14	I	A	0.3397
15	C	A	-0.3101
16	V	A	0.0000
17	S	A	-0.0763
18	P	A	-0.4547
19	T	A	-0.1111
20	W	A	-0.4753
21	V	A	-0.7607
22	C	A	-1.2849
23	D	A	-2.5718
24	G	A	-2.5126
25	E	A	-3.2283
26	N	A	-2.7572
27	D	A	-1.6156
28	C	A	0.0000
29	L	A	0.0156
30	D	A	-1.9019
31	G	A	-1.7740
32	S	A	0.0000
33	D	A	0.0000
34	E	A	-1.5837
35	A	A	-0.6796
36	S	A	-0.1142
37	C	A	-0.2442
38	T	A	-0.0692
39	A	A	-0.0524
40	A	A	-0.1654
41	G	A	-0.9391
42	P	A	-0.7376
43	T	A	-0.3027